4-heptoxy-N-[[(4-phenylphenyl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 4-heptoxy-N-[[(4-phenylphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 4-heptoxy-N-[[(4-phenylbenzoyl)amino]carbamothioyl]benzamide CAS Name: 4-heptoxy-N-[[[oxo-(4-phenylphenyl)methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 4-heptoxy-N-[[(4-phenylbenzoyl)amino]carbamothioyl]benzamide Traditional Name: 4-heptoxy-N-[[(4-phenylbenzoyl)amino]thiocarbamoyl]benzamide Formula: C28H31N3O3S MolecularWeight: 489.62904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C28H31N3O3S/c1-2-3-4-5-9-20-34-25-18-16-23(17-19-25)26(32)29-28(35)31-30-27(33)24-14-12-22(13-15-24)21-10-7-6-8-11-21/h6-8,10-19H,2-5,9,20H2,1H3,(H,30,33)(H2,29,31,32,35)